| CID | 1199966 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 937 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADcfB/uAAAAAAAAAAAAAAAAAAAAWJEgAA8YMEAAAAAAFgB1AAAHgAQAAAADCzBmAcxzoPABECIAqVSUAKCCAAlIgAIiAHO/MifZjLE9b+3OSrs1hPe6ae43xJuIAABAAAAQCBAAAIAAACAQAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3-[1-[5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]furan-2-carbonyl]-4-piperidyl]-1H-benzimidazol-2-one |
| pubchem_iupac_cas_name | 3-[1-[[5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-2-furyl]-oxomethyl]-4-piperidinyl]-1H-benzimidazol-2-one |
| pubchem_iupac_systematic_name | 3-[1-[5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]furan-2-yl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one |
| pubchem_iupac_traditional_name | 3-[1-[5-[[benzyl(piperonyl)amino]methyl]-2-furoyl]-4-piperidyl]-1H-benzimidazol-2-one |
| pubchem_nist_inchi | InChI=1S/C33H32N4O5/c38-32(36-16-14-25(15-17-36)37-28-9-5-4-8-27(28)34-33(37)39)30-13-11-26(42-30)21-35(19-23-6-2-1-3-7-23)20-24-10-12-29-31(18-24)41-22-40-29/h1-13,18,25H,14-17,19-22H2,(H,34,39) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 564.23727 |
| pubchem_molecular_formula | C33H32N4O5 |
| pubchem_molecular_weight | 564.63098 |
| pubchem_openeye_can_smiles | C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC=C(O4)CN(CC5=CC=CC=C5)CC6=CC7=C(C=C6)OCO7 |
| pubchem_openeye_iso_smiles | C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC=C(O4)CN(CC5=CC=CC=C5)CC6=CC7=C(C=C6)OCO7 |
| pubchem_cactvs_tpsa | 87.5 |
| pubchem_monoisotopic_weight | 564.23727 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 42 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 15 18 8
15 19 8
18 21 8
19 22 8
2 20 8
2 25 8
20 24 8
21 23 8
22 23 8
24 27 8
25 27 8
30 32 8
30 33 8
31 36 8
31 37 8
32 34 8
33 38 8
34 35 8
35 38 8
36 40 8
37 41 8
40 42 8
41 42 8
6 15 8
6 16 8
8 16 8
|
